Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2021 Sep 3;10(9):2300. doi: 10.3390/cells10092300

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© 2021 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

PMC Copyright notice

A workflow for protein secondary structure peak fitting. The Preprocess Spectra cuts the data to the Amide I or Amide III region, applies rubber band baseline and min-max normalization. The Average Spectra computes the average spectrum. The first Peak Fit (initial fits the average spectrum with constraints and default initial values. The second Peak Fit (box a) computes the fit for each spectrum, using initial amplitude and sigma values from the average fit. The Edit Domain labels the peak area features by center wavenumber. The Merge Data combines the Amide I and Amide III peak fit datasets. Finally, the Scatter Plot widgets (box b) show the relationship between selected peak areas for the entire dataset.